Graphical user interface INDEX

A Web service for PROPKA can be found at http //propka. ki.ku.dk. Also, a PROPKA graphical user interface (53) for VMD is available at http //propka.ki.ku.dk/ luca/wiki/ index.php/GUI Web that extends and validates the PROPKA approach. 

Preparation of structure queries, transfer of queries for on-line database searches, and capture of hits. Imports structures from ChemDraw, Alchemy III, and ISIS/Draw. Structures can be used to search BEILSTEIN, GMELIN, MARPAT (the CAS Markush patent file), REGISTRY, SPECINFO, CASREACT, and ChemInformRX databases. SciFinder for graphical user interface to STN databases. Internet address stnc.cas.org (134.243.5.32). 12th Collectii/e Index of Chemical Abstracts on CD-ROM. CASurveyor with recent CAS abstracts on CD-ROM. PCs (DOS and Windows) and Macintosh. 

One criticism of reaction indexes has been the lack of completeness in the databases of reactions. This criticism is being answered by the introduction of databases such as the ISI Current Chemical Reactions database and the CAS reaction database now under development. As was previously mentioned for structure databases, a single graphical query interface for searching both in-house and external reaction databases would be of great value to the end-user chemist. 

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